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Chemical ID: 4454303
Chemical ID:
4454303
Name [?]:
4-(3-ethoxybenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCN4CCOCC4)O
InChi [?]:
InChI=1/C24H27N3O5/c1-2-32-19-5-3-4-18(16-19)22(28)20-21(17-6-8-25-9-7-17)27(24(30)23(20)29)11-10-26-12-14-31-15-13-26/h3-9,16,21,29H,2,10-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,7,5,19,23,20,22,25,24,27,31,28,30,9,18,8,4,12,17,10,13,14,21,26,16,11,32,15,29,3/E:(6,7)(8,9)(12,13)(14,15)/rA:32cCCOCCCCCCCOCCCONCCCCNCCCCNCCOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s16;s24;s25;s26;s27;s28;s29;s26s30;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27N3O5 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.32916 |
Area: | 678.293 |
Solvation: | -7.62816 |
Coulombic: | -66.2173 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 437.488 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.74 |
LogP (Chemaxon): | -0.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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